2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid

C8H14N2O4 — CID 79456951

IUPAC2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CNC1
InChIInChI=1S/C8H14N2O4/c11-7(12)5-14-2-1-10-8(13)6-3-9-4-6/h6,9H,1-5H2,(H,10,13)(H,11,12)
InChIKeySYOVFKJTLSASLM-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.58
Rot. Bonds6

About 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid

2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid (PubChem CID 79456951) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
PubChem CID79456951
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CNC1
InChIInChI=1S/C8H14N2O4/c11-7(12)5-14-2-1-10-8(13)6-3-9-4-6/h6,9H,1-5H2,(H,10,13)(H,11,12)
InChIKeySYOVFKJTLSASLM-UHFFFAOYSA-N
XLogP-1.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
CID 81134707
N-(2-ethoxyethyl)azetidine-3-carboxamide;hydrochloride
CID 142434678
2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid
CID 79457787
2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid
CID 79457958
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]ethoxy]acetic acid
CID 79457580
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 63826716
2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
CID 79457584

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid (CID 79456951) is 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)C1CNC1.
What is the InChIKey of 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid?
The InChIKey is SYOVFKJTLSASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-7(12)5-14-2-1-10-8(13)6-3-9-4-6/h6,9H,1-5H2,(H,10,13)(H,11,12).
What are the key properties of 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid?
2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid has a molecular weight of 202.21 g/mol, XLogP of -1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79456951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).